SCHEMBL16632852

SCHEMBL16632852

CC=Cc1cc(OCc2ccccc2)c(OCc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 1/20 0.47
FOLH1 Q04609 1/20 0.47
KCNA3 P22001 1/20 0.45
APP P05067 3/20 0.45
PTGER1 P34995 1/20 0.44
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
AKR1C3 P42330 1/20 0.44
MCL1 Q07820 2/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16632850 1.00 KDM4E (0.52) KDM4EALDH1A1POLBL3MBTL1LMNA
SCHEMBL5848689 0.77 KDM4E (0.66) KDM4EALDH1A1LMNAAPPPTGER1
SCHEMBL5848694 0.77 KDM4E (0.66) KDM4EALDH1A1LMNAAPPPTGER1
SCHEMBL5839199 0.77 FOLH1 (0.56) KDM4EALDH1A1POLBL3MBTL1FOLH1
SCHEMBL31528260 0.76 RAB9A (0.46) KDM4EALDH1A1POLBL3MBTL1LMNA
SCHEMBL16645304 0.76 CNR2 (0.43) KDM4EALDH1A1POLBL3MBTL1LMNA
SCHEMBL9756730 0.76 FOLH1 (0.49) KDM4EALDH1A1POLBL3MBTL1FOLH1
SCHEMBL6762318 0.76 CTSV (0.52) LMNAFOLH1PTGER1
SCHEMBL31528273 0.76 LIPE (0.53) KDM4EALDH1A1POLBL3MBTL1LMNA
SCHEMBL28157939 0.76 APP (0.60) KDM4EALDH1A1POLBL3MBTL1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902986-B2 Enterobactin conjugates and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-02-27 US disclosed
US-20150105337-A1 ENTEROBACTIN CONJUGATES AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-04-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150105337-A1 ENTEROBACTIN CONJUGATES AND USES THEREOF BTD, VIP, SLC10A2 KDM4E 3816/4885ALDH1A1 2901/4885POLB 2130/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.